tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate

C23H29N3O6 — CID 108917493

IUPACtert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccc(CNC(=O)CNC(=O)OC(C)(C)C)cc2)cc1OC
InChIInChI=1S/C23H29N3O6/c1-23(2,3)32-22(29)25-14-20(27)24-13-15-6-9-17(10-7-15)26-21(28)16-8-11-18(30-4)19(12-16)31-5/h6-12H,13-14H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyVUKIKRFTZDTENU-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.10
Rot. Bonds8

About tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate (PubChem CID 108917493) has the molecular formula C23H29N3O6 and a molecular weight of 443.50 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
PubChem CID108917493
Molecular FormulaC23H29N3O6
Molecular Weight443.50 g/mol
Exact Mass443.21
IUPAC Nametert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccc(CNC(=O)CNC(=O)OC(C)(C)C)cc2)cc1OC
InChIInChI=1S/C23H29N3O6/c1-23(2,3)32-22(29)25-14-20(27)24-13-15-6-9-17(10-7-15)26-21(28)16-8-11-18(30-4)19(12-16)31-5/h6-12H,13-14H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyVUKIKRFTZDTENU-UHFFFAOYSA-N
XLogP3.10
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917695
tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108916894
tert-butyl N-[2-[[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917701
tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
CID 108917509
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
tert-butyl N-[2-[[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917559
tert-butyl N-[2-[3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918803
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]carbamate
CID 16740549
tert-butyl N-[2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 142045307
tert-butyl N-[2-[[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917549
tert-butyl N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917737
tert-butyl N-[2-[[4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917761

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate (CID 108917493) is tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate is COc1ccc(C(=O)Nc2ccc(CNC(=O)CNC(=O)OC(C)(C)C)cc2)cc1OC.
What is the InChIKey of tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
The InChIKey is VUKIKRFTZDTENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6/c1-23(2,3)32-22(29)25-14-20(27)24-13-15-6-9-17(10-7-15)26-21(28)16-8-11-18(30-4)19(12-16)31-5/h6-12H,13-14H2,1-5H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate has a molecular weight of 443.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108917493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).